SCHEMBL7168129

SCHEMBL7168129

CCOC(=O)c1onc(OCC)c1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 7/20 0.41
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HPGD P15428 2/20 0.41
TDP2 O95551 2/20 0.41
HTT P42858 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
MEN1 O00255 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7374568 0.78 MAPT (0.50) MAPTRECQLKMT2AGAAMAPK1
SCHEMBL7160366 0.73 PLK1 (0.45) KMT2AALDH1A1NPSR1TDP2HTT
SCHEMBL16403188 0.71 KMT2A (0.42) MAPTRECQLKMT2AMAPK1ALDH1A1
SCHEMBL7164178 0.70 CYP1A2 (0.40) MAPTKMT2AALDH1A1NPSR1HPGD
SCHEMBL12185210 0.69 MEN1 (0.50) MAPTRECQLKMT2AGAAALDH1A1
SCHEMBL12184792 0.69 GABRA1 (0.52) MAPTRECQLKMT2AGAAMAPK1
SCHEMBL916911 0.69 KMT2A (0.65) MAPTRECQLKMT2AGAAALDH1A1
SCHEMBL5064689 0.69 ALDH1A1 (0.59) MAPTRECQLKMT2AALDH1A1TSHR
SCHEMBL28479976 0.68 MAPK1 (0.49) MAPTKMT2AGAAMAPK1ALDH1A1
SCHEMBL7162867 0.68 GRIA1 (0.56) MAPTKMT2AALDH1A1TSHRMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934286-B1 3-ALKOXYISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS LUNDBECK & CO AS H (DK) 2003-01-08 EP disclosed
US-6200999-B1 ALZHEIMER*S, HUNTINGTON*S, AND PARKINSON*S DISEASE; ANTIEPILEPTIC, ANALGESIC, ANXIOLYTIC, ANTIISCHEMIC AND ANTIDEPRESSANT AGENTS; NMDA AND AMPA RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2001-03-13 US disclosed
EP-0934286-A1 3-ALKOXYISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS H. LUNDBECK A/S (DK) 1999-08-11 EP disclosed
WO-1998015542-A1 3-ALKOXYISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS H. LUNDBECK A/S (DK) 1998-04-16 WO disclosed